2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid

C9H17NO4 — CID 60831185

IUPAC2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
SMILESCCOCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-4-14-6-8(11)10(7(2)3)5-9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyUGMPOPCCNAIDGG-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid

2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid (PubChem CID 60831185) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
PubChem CID60831185
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
SMILESCCOCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-4-14-6-8(11)10(7(2)3)5-9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyUGMPOPCCNAIDGG-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
2-ethoxy-N-propan-2-yl-N-propylacetamide
CID 64590968
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
CID 120580773
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[[2-(2-methoxyethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 60831871
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
CID 112662894
2-ethoxyacetic acid
CID 159744705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid (CID 60831185) is 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid is CCOCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is UGMPOPCCNAIDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-6-8(11)10(7(2)3)5-9(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid?
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).